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Substance Name: Mercaptopurine 3-N-oxide
RN: 145-95-9
UNII: 6VHR658170
InChIKey: ICTLMLWIYODPNV-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C5-H4-N4-O-S

Molecular Weight

  • 168.18
 
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Names and Synonyms

Name of Substance

  • Mercaptopurine 3-N-oxide

Synonyms

  • 6-Mercaptopurine 3-N-oxide
  • 6-Mercaptopurine 3-oxide
  • 6-Mercaptopurine oxide
  • 6-Mercaptopurine-3-N-oxide
  • FDA 0188
  • Mercaptopurine 3-N-oxide
  • Mercaptopurine-3-N-oxide
  • NSC 528013
  • Purin-6-thiol, 3-N-oxide
  • UNII-6VHR658170

Systematic Names

  • 6H-Purine-6-thione, 1,7-dihydro-, 3-oxide (9CI)
  • Purin-6-thiol, 3-N-oxide
  • Purine-6-thiol, 3-oxide (8CI)

Registry Numbers

CAS Registry Number

  • 145-95-9

FDA UNII

  • 6VHR658170

System Generated Number

  • 0000145959

Structure Descriptors

InChI

1S/C5H4N4OS/c10-9-2-8-5(11)3-4(9)7-1-6-3/h1-2H,(H,6,7)(H,8,11)

InChIKey

ICTLMLWIYODPNV-UHFFFAOYSA-N

Smiles

c12c([n+](cnc1S)[O-])[nH]cn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 250mg/kg (250mg/kg)   Archives of Pathology. Vol. 86, Pg. 395, 1968.